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DocumentationIdentifier: MM253986
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253986 |
| SMILES |
CC(C)C(=O)N(C)C(C)C
|
| InChIKey |
MEGAKIOVGGTJFY-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160830
Similarity: 0.7748
Similarity to MM160830
| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.8802 |
| Dice metric | 0.8731 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299514
Similarity: 0.6667
Similarity to MM299514
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298164
Similarity: 0.6324
Similarity to MM298164
| Tanimoto metric | 0.6324 |
|---|---|
| Cosine metric | 0.7748 |
| Dice metric | 0.7748 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+507 more
